Glycoside
...
GD062912

Name:
None

Formula:
C14H17O7N5

Smiles:
CC(=O)[C@@H](O)[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O)[C@]1(O)C(C)=O

Aglycone:
CC(=O)CO.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:
CC(=O)C1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 6 FractionCSP3: 0.5
AlogP: -2.77 Num_rotatable_bonds: 4
MolWt: 367.32 Num_heavy_atoms: 26
TPSA: 193.65 NumAromaticRings: 2

Unique Aglycone
AD00207
Formula: C5H4ON5

Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -0.74 Num_rotatable_bonds: 0
MolWt: 150.12 Num_heavy_atoms: 11
TPSA: 98.23 NumAromaticRings: 1
AD12135
Formula: C3H6O2

Smiles:
CC(=O)CO
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.43 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD02102

CC(=O)C1(O)C(O)OC(O)C1O